Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC6 | Q9UBN7 | 14/20 | 0.54 |
| ▸ | HDAC4 | P56524 | 13/20 | 0.54 |
| ▸ | HDAC3 | O15379 | 8/20 | 0.54 |
| ▸ | HDAC1 | Q13547 | 8/20 | 0.54 |
| ▸ | MLYCD | O95822 | 2/20 | 0.47 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.43 |
| ▸ | TUBB | P07437 | 1/20 | 0.43 |
| ▸ | TUBA3C | P0DPH7 | 1/20 | 0.43 |
| ▸ | TUBA1B | P68363 | 1/20 | 0.43 |
| ▸ | TUBA4A | P68366 | 1/20 | 0.43 |
| ▸ | TUBB4B | P68371 | 1/20 | 0.43 |
| ▸ | TUBB3 | Q13509 | 1/20 | 0.43 |
| ▸ | TUBB2A | Q13885 | 1/20 | 0.43 |
| ▸ | TUBB8 | Q3ZCM7 | 1/20 | 0.43 |
| ▸ | TUBA3E | Q6PEY2 | 1/20 | 0.43 |
| ▸ | TUBA1A | Q71U36 | 1/20 | 0.43 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.43 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.43 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.43 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.43 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL4777492 | 0.80 | HDAC6 (0.53) | HDAC6HDAC4HDAC3HDAC1MLYCD | |
| SCHEMBL2203012 | 0.77 | HDAC6 (0.63) | HDAC6HDAC4HDAC3HDAC1MLYCD | |
| Trifluoroacetic Acid SCHEMBL4769601 | 0.72 | HDAC6 (0.60) | HDAC6HDAC4HDAC3HDAC1MLYCD | |
| SCHEMBL2204436 | 0.71 | HDAC6 (0.43) | HDAC6HDAC4HDAC3HDAC1HDAC7 | |
| SCHEMBL2205037 | 0.71 | HDAC6 (1.00) | HDAC6HDAC4HDAC3HDAC1MLYCD | |
| SCHEMBL2202593 | 0.70 | HDAC6 (0.66) | HDAC6HDAC4HDAC3HDAC1MLYCD | |
| Trifluoroacetic Acid SCHEMBL4777488 | 0.67 | HDAC4 (0.58) | HDAC6HDAC4HDAC3HDAC1MLYCD | |
| SCHEMBL2204688 | 0.67 | HDAC6 (0.59) | HDAC6HDAC4HDAC3HDAC1ALDH1A1 | |
| SCHEMBL2201465 | 0.66 | HDAC6 (0.46) | HDAC6HDAC4HDAC3HDAC1TUBB4A | |
| SCHEMBL2203292 | 0.66 | HDAC6 (0.75) | HDAC6HDAC4HDAC3HDAC1TUBB4A |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1926721-A2 | THIOPHENE AND THIAZOLE SUBSTITUTED TRIFLUOROETHANONE DERIVATIVES AS HISTONE DEACETYLASE (HDAC) INHIBITORS | Istituto di Richerche di Biologia Molecolare P. Angeletti S.p.A. (IT) | 2008-06-04 | — | — | EP | disclosed |
| WO-2007029035-A2 | THIOPHENE AND THIAZOLE SUBSTITUTED TRIFLUOROETHANONE DERIVATIVES AS HISTONE DEACETYLASE (HDAC) INHIBITORS | ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) | 2007-03-15 | — | — | WO | disclosed |